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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-86114
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'N']
  • Chemical System: Ca-N-Ti
  • Density: 3.0944950886082245
  • Atomic Density: 0.0634805765431746
  • Unit Cell Volume: 283.55129994381485
  • Molar Volume: 9.48658800523685
  • Full Formula: Ca8 Ti2 N8
  • Reduced Formula: Ca4TiN4
  • Formula Anonymous: AB4C4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1